[(3-phenyl-2-sulfanyl-propanoyl)amino] 2-(2-oxidanylidene-5H-1-benzazepin-1-yl)ethanoate

Systemtic Name: [(3-phenyl-2-sulfanyl-propanoyl)amino] 2-(2-oxidanylidene-5H-1-benzazepin-1-yl)ethanoate Openeye Name: [(3-phenyl-2-sulfanyl-propanoyl)amino] 2-(2-oxo-5H-1-benzazepin-1-yl)acetate CAS Name: 2-(2-oxo-5H-1-benzazepin-1-yl)acetic acid [(2-mercapto-1-oxo-3-phenylpropyl)amino] ester IUPAC Name: [(3-phenyl-2-sulfanylpropanoyl)amino] 2-(2-oxo-5H-1-benzazepin-1-yl)acetate Traditional Name: 2-(2-keto-5H-1-benzazepin-1-yl)acetic acid [(2-mercapto-3-phenyl-propanoyl)amino] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=O)N(C2=CC=CC=C21)CC(=O)ONC(=O)C(CC3=CC=CC=C3)S

Isomeric SMILES

C1C=CC(=O)N(C2=CC=CC=C21)CC(=O)ONC(=O)C(CC3=CC=CC=C3)S

InChI

InChI=1S/C21H20N2O4S/c24-19-12-6-10-16-9-4-5-11-17(16)23(19)14-20(25)27-22-21(26)18(28)13-15-7-2-1-3-8-15/h1-9,11-12,18,28H,10,13-14H2,(H,22,26)